Abstract
The fabrication of colorless and see-through dye-sensitized solar cells (DSCs) requires the photosensitizers to have little or no absorption in the visible light region of the solar spectrum. However, a trade-off between transparency and power conversion efficiency (PCE) has to be tackled, since most transparent DSCs are showing low PCE when compared to colorful and opaque DSCs. One strategy to increase PCE is applying two cosensitizers with selective conversion of the UV and NIR radiation, therefore, the non-visible part only is absorbed. In this study, we report synthesis of novel five UV-selective absorbers, based on diimide and Schiff bases incorporating carboxyl and pyridyl anchoring groups. A systematic computational investigation using density functional theory (DFT) and time-dependent DFT approaches was employed to evaluate their prospect of application in transparent DSCs. Experimental UV/Vis absorption spectra showed that all dyes exhibit an absorption band covering the mid/near-UV region of solar spectrum, with a bathochromic shift and a hyperchromic shifts for Py-1 dye. Computational results showed that the studied dyes satisfied the basic photophysical and energetics requirements of operating DSC as well as the stability and thermodynamical spontaneity of adsorption onto surface of TiO2. However, results revealed outperformance of the thienothiophene core-containing Py-1 UV-dye, owing to its advantageous structural attributes, improved conjugation, intense emission, large Stokes shift and maximum charge transferred to the anchor. Chemical compatibility of Py-1 dye was then theoretically investigated as a potential cosensitizer of a reference VG20-C2 NIR-dye. By the judicious selection of pyridyl anchor-based UV-absorber (Py-1) and carboxyl anchor-based NIR-absorber (VG20), the advantage of the optical complementarity and selectivity of different TiO2-adsorption-site (Lewis- and Bronsted-acidic) can be achieved. An improved overall PCE is estimated accordingly.
Highlights
One of the emerging environmental technologies is building integrated (BI) solarpowered windows, with built-in solar panels, for converting sunlight into electricity [1]
Novel diimide and Schiff bases UV-absorbers have been synthesized by introducing carboxyl and pyridyl anchoring groups to be applied in transparent dyesensitized solar cells
This high absorptivity boosts the light harvesting efficiency, which is crucially required in transparent dye-sensitized solar cells (DSCs) incorporating sufficiently thin layer of TiO2 in order to not be seen
Summary
One of the emerging environmental technologies is building integrated (BI) solarpowered windows, with built-in solar panels, for converting sunlight into electricity [1]. Schiff bases are a type of organic chemicals that has a wide range of uses in a variety of domains, including analytical, biological, and Molecules 2021, 26, 7336 condensation products of primary amines with carbonyl compounds for the first time. Schiff bases are a type of organic chemicals that has a wide range of uses in a v3aorf i2e2ty of domains, including analytical, biological, and inorganic chemistry [23]. In this context, we report synthesis of five new symmetrical UV-selective organic dyes based on diimide (CiAno-1r)gaannidc cahzeommisettrhyin[2e3](.CIAn-t2h,isPyco-1n,tePxyt,-2weanrdepPoryt-3sy).nSthuebssiseqouf efinvtelyn,eqwuasynmtummetcrhiceaml ical coUmVp-usetaletciotinvse woregraenpicedrfyoersmbeadsetdo oinnvdeisitmigidatee(tChAei-r1)paontednatziaolmaeptphliinceat(iCoAn-a2s, Ppyh-o1t,oPsye-n2sitizersanind DPyS-C3)s.
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